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CHEBI:189729 - hesperetin 7-glucuronide

ChEBI IDCHEBI:189729
ChEBI Namehesperetin 7-glucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O
InChIInChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t14?,17-,18-,19+,20-,22+/m0/s1
InChIKeyNEAWXAXVQDDFJL-PLEVBHNASA-N
ChEBI Ontology
Outgoing Relation(s)
hesperetin 7-glucuronide (CHEBI:189729) is a flavonoids (CHEBI:72544)
hesperetin 7-glucuronide (CHEBI:189729) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041745HMDB
35015227ChemSpider